SCHEMBL4946077

SCHEMBL4946077

CC(C)N1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5c4CN(C(=O)O)C5)[nH]c3cc21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 19/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
IL2 P60568 5/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4948961 0.86 AURKA (0.53) ITKAURKAAURKBIL2
SCHEMBL4946046 0.84 AURKA (0.42) ITKAURKAAURKBIL2
SCHEMBL4949158 0.84 AURKA (0.42) ITKAURKAAURKBIL2
SCHEMBL4948278 0.84 AURKA (0.42) ITKAURKAAURKBIL2
SCHEMBL4950836 0.84 AURKA (0.40) ITKAURKAAURKBIL2
SCHEMBL4946021 0.82 AURKA (0.39) ITKAURKAAURKBIL2
SCHEMBL4891748 0.77 PAK4 (0.43)
SCHEMBL4943760 0.77 AURKA (0.50) ITKAURKAAURKBIL2
SCHEMBL4949162 0.76 AURKA (0.33) AURKAAURKB
SCHEMBL4886259 0.75 FGFR1 (0.48) ITKAURKAAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP claimed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US claimed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 ITK 1578/4885AURKA 1207/4885AURKB 1249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.